Dissertation > Mathematical sciences and chemical > Physics > Molecular physics, atomic physics > Molecular Physics

DNA molecules contained in the stream of sub nature

Author FuXue
Tutor JieShiJie
School Shandong University
Course Condensed Matter Physics
Keywords DNA TB model polaron bipolaron
CLC O561
Type Master's thesis
Year 2006
Downloads 51
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The study of DNA’s conductivity has become the focus of biology, physics, chemistry and their cross-discipline. The progress of the electronic industry in the past few decades was based on the delivery of smaller and smaller devices, The trend give birth to the molecular electronics. DNA becomes a candidate for molecular devices as its two of the most unique and appealing properties: double-strand recognition and self-assembly. In addition, it is important to study the structure of electrons in DNA molecule and the transfer of electric charge through its structure, for discover the regularity of vital movement , the damnification and treatment of gene, the transfer of information and so on.Electric conductivity of DNA has been investigated widely both in experiment and theoretic calculation, but the results are inconsistent and even contradictory. This means that the cognitions of the properties of carriers and charge transport mechanism have great controversy. Although we can draw an accurate conclusion from the ab initio without any experience and experiment data, but the computing time rapidly exponential increased with molecular dimension increase. So, we can only calculate some DNA molecule that comprised short chain and lesser base pairs. Tight-binding model is a semi-empirical calculation model, it is succeed in processing one-dimensional system or quasi-one-dimensional system. In addition, tight-binding model includes electron-phonon coupling, electronic correlation and outfield etc; it has many advantages in using tight-binding model to study "soft" molecule rather than other method. So we used the modified tight-binding model to solve the problem which the ab inito programme can not calculate the longer molecules system.We study the evolution of the electron states through a nonadiabatic molecular dynamic method, which allowing for the transition betweens transient eigenstates.In this work, we mainly study the carrier relax formation and charge transport under electric field in different sequence DNA, find that:

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